Nd2U2Rh3
Alexandria ALEXAlex-ID: agm009669449 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_514_spg12
Nd5Rh3 URh U
2024-04-19 12:26:28.410485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009669449).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm009669449
data_agm009669449
_cell_length_a 4.73245
_cell_length_b 5.85911
_cell_length_c 6.73796
_cell_angle_alpha 76.70832
_cell_angle_beta 110.55460
_cell_angle_gamma 113.80667
_cell_volume 159.20064
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.62997 0.47358 0.78632 1.00000
Nd2 Nd 0.37003 0.52642 0.21368 1.00000
U1 U 0.83400 0.09206 0.57543 1.00000
U2 U 0.16600 0.90794 0.42457 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.66454 0.14414 0.18534 1.00000
Rh3 Rh 0.33546 0.85586 0.81466 1.00000
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